#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mda s THR 4 N 0.00 -0.01 -0.06 0.00 -4.23 -0.87 -4.81 115.64 105.66 1mda s THR 4 Ca 0.00 0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1mda s THR 4 Cb 0.00 -0.24 0.01 0.00 1.34 0.00 0.00 72.50 73.61 1mda s THR 4 CO 0.00 0.02 0.06 2.30 -0.54 0.00 0.00 174.62 176.45 1mda n ILE 5 N 3.27 -5.64 -4.08 2.99 -5.35 -1.23 -2.29 119.36 107.03 1mda n ILE 5 Ca -0.16 0.74 -0.15 0.00 -0.27 0.00 0.00 62.75 62.92 1mda n ILE 5 Cb 0.57 -4.50 -0.03 0.00 -1.74 0.00 0.00 39.64 33.94 1mda n ILE 5 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1mda n PRO 6 N 0.42 0.73 0.00 6.28 -0.02 -1.25 -4.35 135.00 136.80 1mda n PRO 6 Ca -0.10 -2.89 0.00 0.00 -2.02 0.00 0.00 63.50 58.49 1mda n PRO 6 Cb 0.15 2.79 0.00 0.00 -0.02 0.00 0.00 33.50 36.41 1mda n PRO 6 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1mda n SER 7 N -1.61 0.00 0.00 2.55 7.64 -0.92 -4.51 113.62 116.77 1mda n SER 7 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1mda n SER 7 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1mda n SER 7 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1mda n GLU 8 N 0.00 0.00 0.00 1.43 1.02 -1.26 -2.86 120.64 118.97 1mda n GLU 8 Ca 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1mda n GLU 8 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1mda n GLU 8 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1mda n SER 9 N -1.77 -1.40 -3.82 1.62 7.64 -1.26 -4.55 113.62 110.07 1mda n SER 9 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1mda n SER 9 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 1mda n SER 9 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1mda n PRO 10 N -0.10 -1.21 -3.21 1.43 -0.01 -1.26 -4.96 135.00 125.67 1mda n PRO 10 Ca 0.00 -1.97 -0.21 0.00 -0.01 0.00 0.00 63.50 61.32 1mda n PRO 10 Cb 0.00 -1.28 -0.07 0.00 -0.01 0.00 0.00 33.50 32.14 1mda n PRO 10 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 175.50 175.43 1mda s PHE 11 N -3.74 0.31 0.00 6.00 0.40 -1.26 -3.26 117.98 116.44 1mda s PHE 11 Ca 0.71 -1.82 0.00 0.00 -0.60 0.00 0.00 56.93 55.22 1mda s PHE 11 Cb -0.02 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.95 1mda s PHE 11 CO 0.50 -0.96 0.00 0.00 0.70 0.00 0.00 175.22 175.46 1mda n ALA 12 N 2.89 -2.59 0.00 5.36 0.00 1.54 -4.82 120.51 122.89 1mda n ALA 12 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1mda n ALA 12 Cb 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1mda n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 13 N 0.41 0.00 -2.07 0.00 0.00 -1.26 -4.64 120.51 112.95 1mda n ALA 13 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1mda n ALA 13 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1mda n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 14 N 0.00 2.42 -2.89 0.00 0.00 -1.26 -0.26 120.51 118.52 1mda n ALA 14 Ca 0.00 -0.73 -0.34 0.00 0.00 0.00 0.00 53.44 52.37 1mda n ALA 14 Cb 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 19.45 19.04 1mda n ALA 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1mda s GLU 15 N 0.00 3.84 0.00 0.00 8.01 -1.26 -4.93 118.70 124.37 1mda s GLU 15 Ca 0.05 -0.41 0.00 0.00 0.01 0.00 0.00 54.97 54.61 1mda s GLU 15 Cb 0.05 -3.13 0.00 0.00 -4.31 0.00 0.00 34.13 26.74 1mda s GLU 15 CO -0.02 0.21 0.00 0.28 0.01 0.00 0.00 175.26 175.74 1mda n VAL 16 N 3.68 0.00 0.00 2.63 0.31 -1.26 -5.02 118.33 118.67 1mda n VAL 16 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1mda n VAL 16 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1mda n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mda n ALA 17 N -3.00 0.00 -1.00 3.52 0.00 -1.26 -5.00 120.51 113.77 1mda n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mda n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mda n ALA 17 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1mda n ASP 18 N 0.00 0.00 -4.49 0.00 5.75 -1.26 -4.86 116.55 111.69 1mda n ASP 18 Ca 0.00 0.00 -0.50 0.00 -0.01 0.00 0.00 54.79 54.28 1mda n ASP 18 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 1mda n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mda n GLY 19 N 2.23 -0.82 0.00 6.12 0.00 -1.26 -4.96 105.19 106.50 1mda n GLY 19 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1mda n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda n ALA 20 N 0.73 0.00 -0.34 4.61 0.00 -1.26 -5.00 120.51 119.25 1mda n ALA 20 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1mda n ALA 20 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1mda n ALA 20 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1mda n ILE 21 N 0.00 -0.45 -3.55 0.00 2.08 -1.26 -4.88 119.36 111.30 1mda n ILE 21 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 1mda n ILE 21 Cb 0.00 -0.90 -0.02 0.00 -0.75 0.00 0.00 39.64 37.97 1mda n ILE 21 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1mda s VAL 22 N -0.02 0.00 -0.05 1.39 0.11 -1.26 -0.81 120.40 119.77 1mda s VAL 22 Ca 0.00 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 58.88 1mda s VAL 22 Cb 0.00 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 1mda s VAL 22 CO 0.00 0.00 0.19 0.68 -3.33 0.00 0.00 175.10 172.64 1mda s VAL 23 N -3.09 0.03 -0.01 2.04 -7.23 -0.76 -4.95 120.40 106.44 1mda s VAL 23 Ca 0.06 -0.26 -0.09 0.00 -1.81 0.00 0.00 61.98 59.89 1mda s VAL 23 Cb -0.01 -0.36 0.01 0.00 0.56 0.00 0.00 36.38 36.58 1mda s VAL 23 CO -0.07 -0.14 0.18 1.51 -0.31 0.00 0.00 175.10 176.26 1mda s ASP 24 N -0.48 -0.03 0.00 4.85 -4.77 -1.26 -0.48 116.67 114.49 1mda s ASP 24 Ca -0.06 -0.10 0.00 0.00 -3.30 0.00 0.00 52.55 49.09 1mda s ASP 24 Cb -0.04 0.24 0.00 0.00 -1.09 0.00 0.00 42.92 42.04 1mda s ASP 24 CO 0.01 -0.36 0.00 0.00 0.70 0.00 0.00 175.17 175.52 1mda n ILE 25 N 1.54 0.00 -0.04 2.11 0.00 -1.20 -2.88 119.36 118.89 1mda n ILE 25 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.53 1mda n ILE 25 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.20 1mda n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1mda n ALA 26 N 0.00 -1.59 -1.66 1.51 0.00 -1.26 -3.64 120.51 113.86 1mda n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mda n ALA 26 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1mda n ALA 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mda n LYS 27 N 1.18 -0.07 -0.55 0.00 5.02 -1.26 -3.16 118.16 119.31 1mda n LYS 27 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1mda n LYS 27 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 1mda n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1mda n MET 28 N 1.66 0.00 -3.65 1.97 2.81 -1.26 -4.63 117.12 114.01 1mda n MET 28 Ca 0.00 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.91 1mda n MET 28 Cb 0.00 -0.55 -0.06 0.00 -0.71 0.00 0.00 33.22 31.89 1mda n MET 28 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1mda s LYS 29 N 2.70 0.01 0.06 0.03 -2.85 -1.19 -4.50 119.74 114.00 1mda s LYS 29 Ca 0.00 0.01 -0.31 0.00 -1.00 0.00 0.00 55.97 54.67 1mda s LYS 29 Cb 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 37.83 35.69 1mda s LYS 29 CO 0.00 -0.00 1.56 0.71 0.10 0.00 0.00 175.35 177.72 1mda s TYR 30 N 0.87 2.65 1.10 1.78 1.51 -1.26 -4.02 117.35 119.98 1mda s TYR 30 Ca -0.06 0.52 -0.12 0.00 -1.01 0.00 0.00 57.07 56.40 1mda s TYR 30 Cb -0.02 -3.86 0.25 0.00 -0.11 0.00 0.00 41.96 38.22 1mda s TYR 30 CO -0.10 -3.35 1.06 -2.00 -1.11 0.00 0.00 175.55 170.05 1mda s GLU 31 N 2.34 -0.45 -0.95 -0.62 2.12 -1.14 -3.35 118.70 116.64 1mda s GLU 31 Ca 0.70 1.00 -0.11 0.00 0.36 0.00 0.00 54.97 56.92 1mda s GLU 31 Cb -0.38 -1.60 0.11 0.00 0.26 0.00 0.00 34.13 32.53 1mda s GLU 31 CO 0.30 -3.46 0.28 2.41 -0.54 0.00 0.00 175.26 174.26 1mda n THR 32 N -4.75 -0.05 -0.12 -1.70 -1.04 -1.26 -4.73 114.28 100.63 1mda n THR 32 Ca 0.05 -0.02 -0.03 0.00 -2.04 0.00 0.00 64.05 62.01 1mda n THR 32 Cb 0.54 -0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 68.74 1mda n THR 32 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1mda n PRO 33 N -2.37 -0.13 -2.38 -2.82 -0.04 -1.21 -3.96 135.00 122.08 1mda n PRO 33 Ca 0.04 1.10 -0.43 0.00 -0.04 0.00 0.00 63.50 64.17 1mda n PRO 33 Cb 0.24 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 1mda n PRO 33 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1mda s GLU 34 N -3.75 3.52 -0.03 0.54 2.12 -1.25 -3.27 118.70 116.59 1mda s GLU 34 Ca -0.03 0.78 -0.03 0.00 0.36 0.00 0.00 54.97 56.05 1mda s GLU 34 Cb 0.03 -4.04 0.01 0.00 0.26 0.00 0.00 34.13 30.39 1mda s GLU 34 CO 0.18 -1.64 0.08 -0.48 -0.54 0.00 0.00 175.26 172.86 1mda s LEU 35 N 5.51 1.70 0.12 2.70 -0.00 -0.54 -4.99 118.68 123.17 1mda s LEU 35 Ca 0.58 0.09 -0.01 0.00 -0.00 0.00 0.00 54.13 54.78 1mda s LEU 35 Cb -0.12 0.32 -0.04 0.00 -0.00 0.00 0.00 46.19 46.35 1mda s LEU 35 CO 0.31 -0.09 0.30 -1.00 -0.00 0.00 0.00 176.35 175.87 1mda s HIS 36 N -0.21 3.50 0.13 3.48 3.76 -1.26 -1.55 115.29 123.13 1mda s HIS 36 Ca -0.03 0.34 -0.19 0.00 -0.15 0.00 0.00 55.06 55.03 1mda s HIS 36 Cb -0.02 -1.84 0.05 0.00 1.11 0.00 0.00 32.58 31.88 1mda s HIS 36 CO 0.00 0.50 0.49 0.08 -0.85 0.00 0.00 174.74 174.96 1mda s VAL 37 N -1.64 0.04 0.57 -0.90 1.01 0.62 -4.92 120.40 115.17 1mda s VAL 37 Ca 0.37 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 1mda s VAL 37 Cb -0.12 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1mda s VAL 37 CO 0.27 -0.17 0.92 -1.59 0.00 0.00 0.00 175.10 174.53 1mda s LYS 38 N -3.66 3.47 0.23 2.72 -2.85 -1.26 -0.53 119.74 117.85 1mda s LYS 38 Ca 0.01 0.44 -0.30 0.00 -1.00 0.00 0.00 55.97 55.12 1mda s LYS 38 Cb 0.00 -2.22 -0.10 0.00 -2.06 0.00 0.00 37.83 33.46 1mda s LYS 38 CO -0.12 -0.46 1.47 0.14 0.10 0.00 0.00 175.35 176.48 1mda s VAL 39 N -2.99 2.65 0.00 1.79 -7.23 -1.23 -1.94 120.40 111.45 1mda s VAL 39 Ca 0.52 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.22 1mda s VAL 39 Cb -0.11 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.50 1mda s VAL 39 CO 0.49 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 1mda n GLY 40 N 2.52 0.54 3.77 2.32 0.00 0.84 -4.96 105.19 110.21 1mda n GLY 40 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1mda n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mda s ASP 41 N -2.47 7.30 0.54 1.61 1.01 -0.82 -4.74 116.67 119.11 1mda s ASP 41 Ca 0.00 2.02 -0.07 0.00 0.71 0.00 0.00 52.55 55.21 1mda s ASP 41 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1mda s ASP 41 CO 0.00 -0.10 0.88 -0.89 0.21 0.00 0.00 175.17 175.27 1mda s THR 42 N -1.38 4.78 -0.17 -1.27 2.01 -1.26 -3.82 115.64 114.53 1mda s THR 42 Ca 0.47 0.44 -0.05 0.00 0.31 0.00 0.00 61.69 62.86 1mda s THR 42 Cb -0.25 -3.85 0.06 0.00 0.01 0.00 0.00 72.50 68.47 1mda s THR 42 CO 0.31 -0.94 0.09 0.68 -0.69 0.00 0.00 174.62 174.07 1mda s VAL 43 N -2.91 -0.08 -0.27 3.82 -7.23 -0.89 -4.85 120.40 107.99 1mda s VAL 43 Ca 0.50 -0.17 -0.11 0.00 -1.81 0.00 0.00 61.98 60.39 1mda s VAL 43 Cb -0.11 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.20 1mda s VAL 43 CO 0.48 -0.28 0.18 0.28 -0.31 0.00 0.00 175.10 175.45 1mda s THR 44 N 2.13 5.32 -0.03 5.32 -1.32 0.01 -1.08 115.64 125.99 1mda s THR 44 Ca 0.02 0.17 -0.17 0.00 -1.21 0.00 0.00 61.69 60.50 1mda s THR 44 Cb -0.16 -3.52 -0.05 0.00 -1.51 0.00 0.00 72.50 67.26 1mda s THR 44 CO -0.09 0.28 0.46 0.26 -2.21 0.00 0.00 174.62 173.32 1mda s TRP 45 N 1.57 3.66 -0.10 9.09 0.51 0.23 -1.82 118.94 132.08 1mda s TRP 45 Ca 0.07 1.00 0.01 0.00 -2.12 0.00 0.00 56.10 55.06 1mda s TRP 45 Cb -0.15 -2.43 0.02 0.00 -0.81 0.00 0.00 33.47 30.10 1mda s TRP 45 CO 0.09 0.45 -0.09 -1.50 -0.51 0.00 0.00 176.95 175.39 1mda s ILE 46 N -0.43 1.06 -0.01 2.03 2.07 0.37 -1.73 121.20 124.57 1mda s ILE 46 Ca 0.25 -0.35 -0.30 0.00 -1.41 0.00 0.00 60.65 58.84 1mda s ILE 46 Cb -0.17 -1.03 -0.06 0.00 0.13 0.00 0.00 42.46 41.33 1mda s ILE 46 CO 0.13 0.36 1.53 0.21 -1.91 0.00 0.00 174.94 175.26 1mda s ASN 47 N 1.32 6.74 0.00 4.50 3.84 0.31 -3.24 114.94 128.41 1mda s ASN 47 Ca -0.02 2.22 0.09 0.00 0.21 0.00 0.00 52.86 55.36 1mda s ASN 47 Cb -0.14 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 37.97 1mda s ASN 47 CO -0.04 -0.82 0.52 -1.14 -2.79 0.00 0.00 177.10 172.83 1mda n ARG 48 N 5.99 2.85 -3.39 0.43 3.00 -1.26 0.76 116.66 125.04 1mda n ARG 48 Ca 0.15 -0.37 -0.23 0.00 -0.00 0.00 0.00 57.85 57.40 1mda n ARG 48 Cb 0.43 -1.01 -0.01 0.00 0.00 0.00 0.00 32.46 31.87 1mda n ARG 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1mda s GLU 49 N -1.50 3.45 -0.52 -0.14 2.02 -1.26 -4.77 118.70 115.98 1mda s GLU 49 Ca 0.06 -0.39 -0.03 0.00 0.02 0.00 0.00 54.97 54.63 1mda s GLU 49 Cb 0.07 -2.67 0.15 0.00 0.10 0.00 0.00 34.13 31.78 1mda s GLU 49 CO 0.28 0.14 2.50 0.00 0.02 0.00 0.00 175.26 178.20 1mda n ALA 50 N -1.78 6.29 -3.15 5.21 0.00 -1.26 -3.14 120.51 122.67 1mda n ALA 50 Ca -0.05 -3.08 0.04 0.00 0.00 0.00 0.00 53.44 50.36 1mda n ALA 50 Cb 0.56 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 1mda n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda s MET 51 N -2.26 0.00 0.82 0.00 0.23 -1.26 -5.10 119.30 111.72 1mda s MET 51 Ca 0.54 0.01 -0.11 0.00 -1.03 0.00 0.00 55.69 55.11 1mda s MET 51 Cb 0.38 0.01 0.08 0.00 -1.53 0.00 0.00 34.83 33.77 1mda s MET 51 CO -0.22 -0.00 1.09 -2.14 -2.03 0.00 0.00 175.02 171.72 1mda s PRO 52 N 2.14 1.91 0.33 3.16 0.02 -1.26 -4.84 135.00 136.46 1mda s PRO 52 Ca -0.01 1.08 -0.11 0.00 0.02 0.00 0.00 61.00 61.98 1mda s PRO 52 Cb -0.01 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.67 1mda s PRO 52 CO -0.15 -1.86 0.62 -1.01 -0.33 0.00 0.00 177.00 174.27 1mda s HIS 53 N -2.90 0.44 0.36 6.54 3.76 -1.08 -4.89 115.29 117.51 1mda s HIS 53 Ca 0.62 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 1mda s HIS 53 Cb -0.18 0.40 -0.00 0.00 1.11 0.00 0.00 32.58 33.92 1mda s HIS 53 CO 0.56 -1.29 0.45 0.54 -0.85 0.00 0.00 174.74 174.16 1mda s ASN 54 N -3.10 1.20 -0.19 1.40 4.22 -1.26 -1.89 114.94 115.33 1mda s ASN 54 Ca 0.21 -1.59 -0.05 0.00 -2.14 0.00 0.00 52.86 49.29 1mda s ASN 54 Cb -0.03 0.67 0.07 0.00 1.28 0.00 0.00 41.25 43.24 1mda s ASN 54 CO 0.13 -1.29 0.14 0.54 -2.04 0.00 0.00 177.10 174.58 1mda s VAL 55 N -2.98 -0.17 -0.18 3.54 0.11 -1.25 -4.33 120.40 115.14 1mda s VAL 55 Ca 0.33 -0.20 -0.01 0.00 -2.93 0.00 0.00 61.98 59.17 1mda s VAL 55 Cb -0.00 -0.64 0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1mda s VAL 55 CO 0.23 -0.30 -0.03 -2.28 -3.33 0.00 0.00 175.10 169.40 1mda s HIS 56 N 2.20 1.60 0.00 1.54 5.04 -0.23 0.81 115.29 126.24 1mda s HIS 56 Ca 0.04 -1.09 0.00 0.00 -1.54 0.00 0.00 55.06 52.47 1mda s HIS 56 Cb -0.16 -1.26 0.00 0.00 0.04 0.00 0.00 32.58 31.20 1mda s HIS 56 CO -0.13 -0.62 0.00 1.19 -2.34 0.00 0.00 174.74 172.84 1mda n PHE 57 N 4.90 0.00 0.00 3.88 3.01 -1.21 -1.00 117.46 127.03 1mda n PHE 57 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1mda n PHE 57 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 1mda n PHE 57 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1mda n VAL 58 N 0.00 0.00 -2.72 -4.37 0.31 -1.26 -4.35 118.33 105.94 1mda n VAL 58 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1mda n VAL 58 Cb 0.00 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.03 1mda n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mda n ALA 59 N -3.00 -0.38 -1.86 3.52 0.00 -1.26 -4.46 120.51 113.07 1mda n ALA 59 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1mda n ALA 59 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1mda n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mda n GLY 60 N 0.12 0.88 2.67 0.00 0.00 -1.26 -4.79 105.19 102.80 1mda n GLY 60 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1mda n GLY 60 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mda s VAL 61 N 0.00 0.26 0.00 1.61 -7.23 -1.26 -4.61 120.40 109.16 1mda s VAL 61 Ca 0.00 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 1mda s VAL 61 Cb 0.00 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 36.03 1mda s VAL 61 CO 0.00 -0.34 0.00 0.18 -0.31 0.00 0.00 175.10 174.63 1mda n LEU 62 N 5.14 0.00 0.00 1.32 4.77 -1.26 -4.57 117.00 122.40 1mda n LEU 62 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1mda n LEU 62 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1mda n LEU 62 CO 0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1mda n GLY 63 N 0.00 0.15 0.00 -0.72 0.00 -0.97 -2.05 105.19 101.60 1mda n GLY 63 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1mda n GLY 63 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mda n GLU 64 N 0.00 1.14 0.00 1.61 1.02 -1.26 -4.37 120.64 118.77 1mda n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1mda n GLU 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1mda n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mda n ALA 65 N -3.00 0.00 0.00 0.62 0.00 -1.26 -4.58 120.51 112.29 1mda n ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mda n ALA 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mda n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 66 N 10.60 0.00 -1.68 0.00 0.00 -1.26 -4.47 120.51 123.70 1mda n ALA 66 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 1mda n ALA 66 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1mda n ALA 66 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1mda n LEU 67 N 0.00 3.29 -4.86 0.00 7.94 -1.26 -4.91 117.00 117.20 1mda n LEU 67 Ca 0.00 0.99 -0.36 0.00 -1.11 0.00 0.00 56.01 55.53 1mda n LEU 67 Cb 0.00 -1.35 -0.06 0.00 0.53 0.00 0.00 43.42 42.55 1mda n LEU 67 CO 0.00 -0.12 0.06 -1.59 -1.11 0.00 0.00 177.39 174.62 1mda s LYS 68 N 3.75 3.78 0.19 1.96 -2.85 -1.26 -3.36 119.74 121.94 1mda s LYS 68 Ca 0.92 0.22 -0.12 0.00 -1.00 0.00 0.00 55.97 55.99 1mda s LYS 68 Cb -0.74 -3.10 -0.07 0.00 -2.06 0.00 0.00 37.83 31.86 1mda s LYS 68 CO 0.52 0.63 0.55 0.20 0.10 0.00 0.00 175.35 177.35 1mda s GLY 69 N -1.45 2.36 0.00 0.59 0.00 0.24 -4.89 107.32 104.17 1mda s GLY 69 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1mda s GLY 69 CO 0.15 -0.00 0.00 -1.55 0.00 0.00 0.00 173.10 171.70 1mda n PRO 70 N 0.33 0.00 -3.58 2.90 -0.04 -1.26 -3.96 135.00 129.39 1mda n PRO 70 Ca -0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 1mda n PRO 70 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 1mda n PRO 70 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1mda s MET 71 N 0.00 0.50 -0.29 0.54 -1.94 -1.24 -4.06 119.30 112.80 1mda s MET 71 Ca 0.00 -0.02 -0.25 0.00 -1.71 0.00 0.00 55.69 53.71 1mda s MET 71 Cb 0.00 0.23 0.18 0.00 2.01 0.00 0.00 34.83 37.26 1mda s MET 71 CO 0.00 -0.18 1.40 0.00 -0.01 0.00 0.00 175.02 176.22 1mda s MET 72 N -1.77 0.10 0.00 2.03 0.23 -0.79 -4.87 119.30 114.24 1mda s MET 72 Ca 0.03 0.11 0.00 0.00 -1.03 0.00 0.00 55.69 54.81 1mda s MET 72 Cb -0.01 0.05 0.00 0.00 -1.53 0.00 0.00 34.83 33.34 1mda s MET 72 CO -0.03 -0.02 0.00 0.36 -2.03 0.00 0.00 175.02 173.30 1mda n LYS 73 N 1.52 2.94 -0.53 3.16 -0.00 -1.26 -2.64 118.16 121.35 1mda n LYS 73 Ca -0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.09 1mda n LYS 73 Cb 0.57 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.54 1mda n LYS 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1mda n LYS 74 N 0.00 0.00 0.00 -1.58 4.76 -1.19 -3.08 118.16 117.07 1mda n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1mda n LYS 74 Cb 0.00 -0.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 1mda n LYS 74 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1mda n GLU 75 N 2.77 0.00 0.00 1.97 -0.58 0.23 -4.97 120.64 120.06 1mda n GLU 75 Ca 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1mda n GLU 75 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 1mda n GLU 75 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1mda n GLN 76 N 0.00 0.00 -4.04 3.49 6.02 -1.18 0.11 117.38 121.79 1mda n GLN 76 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1mda n GLN 76 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 1mda n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mda s ALA 77 N 0.00 0.10 -0.06 -1.58 0.00 0.64 -1.60 121.76 119.27 1mda s ALA 77 Ca 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 1mda s ALA 77 Cb 0.00 1.12 0.04 0.00 0.00 0.00 0.00 23.12 24.28 1mda s ALA 77 CO 0.00 -0.77 0.12 -0.47 0.00 0.00 0.00 175.76 174.64 1mda s TYR 78 N -4.04 -0.12 0.02 0.00 5.04 -0.70 0.44 117.35 117.99 1mda s TYR 78 Ca 0.26 0.41 0.06 0.00 -2.44 0.00 0.00 57.07 55.36 1mda s TYR 78 Cb 0.02 -0.14 -0.03 0.00 0.35 0.00 0.00 41.96 42.16 1mda s TYR 78 CO 0.09 -0.16 -0.17 -1.54 -1.34 0.00 0.00 175.55 172.43 1mda s SER 79 N 1.26 3.88 -0.06 4.32 1.04 -1.20 -0.60 113.70 122.33 1mda s SER 79 Ca -0.08 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1mda s SER 79 Cb -0.12 -0.68 0.02 0.00 0.10 0.00 0.00 66.02 65.34 1mda s SER 79 CO -0.05 0.28 -0.04 -0.22 0.98 0.00 0.00 173.24 174.19 1mda s LEU 80 N -1.27 1.09 0.20 2.42 2.96 -0.24 -4.66 118.68 119.17 1mda s LEU 80 Ca 0.14 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1mda s LEU 80 Cb -0.11 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 1mda s LEU 80 CO 0.04 -0.10 0.30 -0.89 -1.32 0.00 0.00 176.35 174.38 1mda s THR 81 N 1.34 5.15 0.01 3.68 2.01 -1.13 -2.09 115.64 124.60 1mda s THR 81 Ca -0.04 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1mda s THR 81 Cb -0.13 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1mda s THR 81 CO -0.02 -0.22 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.29 1mda s PHE 82 N -1.88 0.33 -0.02 4.92 0.40 -1.25 -2.17 117.98 118.31 1mda s PHE 82 Ca 0.34 -0.15 -0.02 0.00 -0.60 0.00 0.00 56.93 56.50 1mda s PHE 82 Cb -0.10 -0.21 -0.01 0.00 0.51 0.00 0.00 43.02 43.22 1mda s PHE 82 CO 0.28 -0.03 -0.03 0.25 0.70 0.00 0.00 175.22 176.39 1mda n THR 83 N 2.69 0.14 -1.92 0.64 -2.24 -1.26 0.29 114.28 112.62 1mda n THR 83 Ca -0.15 0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 61.78 1mda n THR 83 Cb 0.58 -1.58 0.02 0.00 -2.10 0.00 0.00 70.33 67.25 1mda n THR 83 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mda s GLU 84 N -1.17 3.36 0.37 -0.78 2.02 -1.26 -4.58 118.70 116.66 1mda s GLU 84 Ca -0.03 0.98 -0.06 0.00 0.02 0.00 0.00 54.97 55.89 1mda s GLU 84 Cb 0.00 -2.05 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 1mda s GLU 84 CO 0.04 -0.76 0.66 0.00 0.02 0.00 0.00 175.26 175.22 1mda s ALA 85 N -2.83 3.50 0.00 5.21 0.00 -1.26 -4.88 121.76 121.50 1mda s ALA 85 Ca 0.59 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1mda s ALA 85 Cb -0.13 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1mda s ALA 85 CO 0.45 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1mda n GLY 86 N -1.38 -0.17 3.34 0.00 0.00 -1.02 -5.00 105.19 100.96 1mda n GLY 86 Ca -0.00 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 1mda n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mda s THR 87 N -1.57 3.38 -0.15 2.61 -1.32 -1.26 -1.50 115.64 115.83 1mda s THR 87 Ca 0.00 -0.50 -0.04 0.00 -1.21 0.00 0.00 61.69 59.93 1mda s THR 87 Cb 0.00 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 1mda s THR 87 CO 0.00 0.45 -0.01 -0.31 -2.21 0.00 0.00 174.62 172.54 1mda s TYR 88 N 1.15 3.10 -0.12 9.09 1.51 0.12 -4.95 117.35 127.24 1mda s TYR 88 Ca 0.02 -0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 55.95 1mda s TYR 88 Cb -0.14 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1mda s TYR 88 CO -0.01 0.11 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.98 1mda s ASP 89 N 0.11 4.70 0.27 2.29 1.01 -1.26 0.15 116.67 123.93 1mda s ASP 89 Ca 0.01 -0.10 0.02 0.00 0.71 0.00 0.00 52.55 53.19 1mda s ASP 89 Cb -0.13 -1.56 -0.04 0.00 1.01 0.00 0.00 42.92 42.20 1mda s ASP 89 CO 0.02 0.24 0.12 -0.72 0.21 0.00 0.00 175.17 175.04 1mda s TYR 90 N -0.08 1.51 0.13 4.23 1.13 0.89 -4.22 117.35 120.95 1mda s TYR 90 Ca 0.01 -1.27 -0.24 0.00 -1.41 0.00 0.00 57.07 54.16 1mda s TYR 90 Cb -0.13 -0.84 0.07 0.00 -1.10 0.00 0.00 41.96 39.96 1mda s TYR 90 CO 0.03 -0.44 0.63 -3.38 -2.51 0.00 0.00 175.55 169.88 1mda s HIS 91 N -3.75 -0.54 -0.38 -3.49 -3.43 -0.17 -1.88 115.29 101.65 1mda s HIS 91 Ca 0.37 0.38 -0.20 0.00 -0.80 0.00 0.00 55.06 54.81 1mda s HIS 91 Cb 0.07 0.55 0.01 0.00 -1.43 0.00 0.00 32.58 31.77 1mda s HIS 91 CO 0.15 -0.81 0.63 0.00 -2.00 0.00 0.00 174.74 172.71 1mda h THR 93 N 5.74 0.33 0.00 0.00 1.03 -1.88 -2.29 112.91 115.84 1mda h THR 93 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 1mda h THR 93 Cb 1.11 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1mda h THR 93 CO 0.85 0.00 0.11 -2.65 -0.01 0.00 0.00 175.52 173.82 1mda n PRO 94 N -5.39 0.00 -2.91 0.00 -0.02 -1.26 -2.45 135.00 122.97 1mda n PRO 94 Ca -0.02 0.27 -0.02 0.00 -2.02 0.00 0.00 63.50 61.71 1mda n PRO 94 Cb 0.31 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1mda n PRO 94 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1mda s HIS 95 N -2.47 -1.52 -1.50 6.00 3.76 -0.92 -5.00 115.29 113.64 1mda s HIS 95 Ca 0.00 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1mda s HIS 95 Cb 0.00 0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.98 1mda s HIS 95 CO 0.00 -1.13 0.36 -0.35 -0.85 0.00 0.00 174.74 172.76 1mda n PRO 96 N 3.45 0.00 0.01 8.40 -0.04 -0.91 -2.86 135.00 143.05 1mda n PRO 96 Ca 0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1mda n PRO 96 Cb 0.57 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1mda n PRO 96 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1mda h PHE 97 N 0.00 -0.14 -2.70 0.54 -5.15 -1.89 -3.43 116.94 104.17 1mda h PHE 97 Ca 0.00 -0.00 -0.54 0.00 -0.20 0.00 0.00 57.97 57.23 1mda h PHE 97 Cb 0.00 0.05 0.01 0.00 0.22 0.00 0.00 35.95 36.22 1mda h PHE 97 CO 0.00 0.24 1.00 -1.64 -2.00 0.00 0.00 178.31 175.91 1mda s MET 98 N -2.59 4.21 0.07 6.09 1.00 -1.13 -4.88 119.30 122.06 1mda s MET 98 Ca -0.09 2.23 -0.06 0.00 0.00 0.00 0.00 55.69 57.77 1mda s MET 98 Cb -0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 34.83 31.10 1mda s MET 98 CO 0.34 -0.74 0.10 -0.98 0.00 0.00 0.00 175.02 173.74 1mda s ARG 99 N 3.03 0.72 0.36 2.03 1.70 -1.26 -2.40 118.95 123.12 1mda s ARG 99 Ca 0.72 -1.00 -0.13 0.00 -0.47 0.00 0.00 55.73 54.85 1mda s ARG 99 Cb -0.36 0.28 0.04 0.00 -0.57 0.00 0.00 34.95 34.33 1mda s ARG 99 CO 0.31 -0.20 0.69 0.20 -1.08 0.00 0.00 175.30 175.22 1mda s GLY 100 N -2.74 0.60 -0.08 3.88 0.00 -0.79 -4.82 107.32 103.38 1mda s GLY 100 Ca 0.04 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.80 1mda s GLY 100 CO -0.09 -0.47 0.20 1.25 0.00 0.00 0.00 173.10 173.99 1mda s LYS 101 N -2.74 0.21 0.05 2.90 2.20 -1.20 -0.08 119.74 121.09 1mda s LYS 101 Ca 0.19 0.33 0.07 0.00 -0.36 0.00 0.00 55.97 56.19 1mda s LYS 101 Cb -0.04 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.29 1mda s LYS 101 CO 0.13 -0.07 -0.14 0.08 -0.36 0.00 0.00 175.35 174.99 1mda s VAL 102 N 0.41 3.06 -0.21 4.02 1.01 0.39 -1.47 120.40 127.61 1mda s VAL 102 Ca -0.03 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1mda s VAL 102 Cb -0.04 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 34.06 1mda s VAL 102 CO -0.02 0.28 -0.02 -0.69 0.00 0.00 0.00 175.10 174.65 1mda s VAL 103 N -1.01 1.14 -0.51 2.92 1.01 -0.60 0.10 120.40 123.46 1mda s VAL 103 Ca 0.17 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1mda s VAL 103 Cb -0.11 -1.47 0.06 0.00 0.00 0.00 0.00 36.38 34.86 1mda s VAL 103 CO 0.08 -0.10 0.62 -0.69 0.00 0.00 0.00 175.10 175.00 1mda s VAL 104 N 1.58 4.89 -2.07 2.92 1.01 -0.56 -0.28 120.40 127.89 1mda s VAL 104 Ca -0.03 -0.53 0.17 0.00 0.00 0.00 0.00 61.98 61.59 1mda s VAL 104 Cb -0.18 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.04 1mda s VAL 104 CO -0.07 -0.80 1.03 -1.84 0.00 0.00 0.00 175.10 173.41